4-methylcyclohexanone (CHEBI:195392)

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ChEBI Name	4-methylcyclohexanone

ChEBI ID	CHEBI:195392

Definition	A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Elisabeth COUDERT

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O

Net Charge

Average Mass

112.172

Monoisotopic Mass

112.08882

InChI

InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

SMILES

CC1CCC(=O)CC1

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	4-methylcyclohexanone (CHEBI:195392) has role flavouring agent (CHEBI:35617) 4-methylcyclohexanone (CHEBI:195392) has role plant metabolite (CHEBI:76924) 4-methylcyclohexanone (CHEBI:195392) is a cyclohexanones (CHEBI:23482)

IUPAC Name

4-methylcyclohexanone

Last Modified

18 July 2023

General Comment
2023-07-18	Additional articles: https://doi.org/10.1038/s41929-019-0249-z